2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide

C13H14ClFN2O2 — CID 139512673

IUPAC2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide
SMILESNC(=O)C(Oc1ccc(Cl)c(F)c1)C12CC(N)(C1)C2
InChIInChI=1S/C13H14ClFN2O2/c14-8-2-1-7(3-9(8)15)19-10(11(16)18)12-4-13(17,5-12)6-12/h1-3,10H,4-6,17H2,(H2,16,18)
InChIKeyGBHIIBAVKCYQSL-UHFFFAOYSA-N
MW284.72 g/mol
LogP1.59
Rot. Bonds4

About 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide

2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide (PubChem CID 139512673) has the molecular formula C13H14ClFN2O2 and a molecular weight of 284.72 g/mol. Its IUPAC name is 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide.

Molecular Properties

Compound Name2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide
PubChem CID139512673
Molecular FormulaC13H14ClFN2O2
Molecular Weight284.72 g/mol
Exact Mass284.07
IUPAC Name2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide
SMILESNC(=O)C(Oc1ccc(Cl)c(F)c1)C12CC(N)(C1)C2
InChIInChI=1S/C13H14ClFN2O2/c14-8-2-1-7(3-9(8)15)19-10(11(16)18)12-4-13(17,5-12)6-12/h1-3,10H,4-6,17H2,(H2,16,18)
InChIKeyGBHIIBAVKCYQSL-UHFFFAOYSA-N
XLogP1.59
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide with MolForge

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Related Compounds

2-[(1S,3R,4R)-4-[2-amino-1-(4-chloro-3-fluorophenoxy)-2-oxoethyl]-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]-2-(4-chloro-3-fluorophenoxy)acetamide
CID 155640684
2-(4-chloro-3-fluorophenoxy)octanamide
CID 175719063
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162
2-(4-chloro-3-fluorophenoxy)propanethioamide
CID 82716100
(4-chloro-3-fluorophenyl) carbonochloridate
CID 82717639
2-(4-chloro-3-fluorophenoxy)propanimidamide
CID 82716648
(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
CID 103548134
3-(4-chloro-3-fluorophenoxy)-2,2-dimethylpentanoic acid
CID 175702140
2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine
CID 82727583
2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide
CID 173431644
2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine
CID 82727291
ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
CID 82717095

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide?
The IUPAC name of 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide (CID 139512673) is 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide.
What is the SMILES notation for 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide?
The canonical SMILES for 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide is NC(=O)C(Oc1ccc(Cl)c(F)c1)C12CC(N)(C1)C2.
What is the InChIKey of 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide?
The InChIKey is GBHIIBAVKCYQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2/c14-8-2-1-7(3-9(8)15)19-10(11(16)18)12-4-13(17,5-12)6-12/h1-3,10H,4-6,17H2,(H2,16,18).
What are the key properties of 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide?
2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide has a molecular weight of 284.72 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide is sourced from PubChem (CID 139512673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).